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Author: John Clarke Slater Publisher: McGraw-Hill Companies ISBN: Category : Science Languages : en Pages : 616
Book Description
V. 1. Electronic structure of molecules.--v. 2. Symmetry and energy bands in crystals.--v. 3. Insulators, semiconductors, and metals.--v. 4. The self-consistent field for molecules and solids.
Author: John Clarke Slater Publisher: McGraw-Hill Companies ISBN: Category : Science Languages : en Pages : 616
Book Description
V. 1. Electronic structure of molecules.--v. 2. Symmetry and energy bands in crystals.--v. 3. Insulators, semiconductors, and metals.--v. 4. The self-consistent field for molecules and solids.
Author: John Clarke Slater Publisher: McGraw-Hill Companies ISBN: Category : Science Languages : en Pages : 616
Book Description
V. 1. Electronic structure of molecules.--v. 2. Symmetry and energy bands in crystals.--v. 3. Insulators, semiconductors, and metals.--v. 4. The self-consistent field for molecules and solids.
Author: Jorge Kohanoff Publisher: Cambridge University Press ISBN: 1139453483 Category : Science Languages : en Pages : 372
Book Description
Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Author: Jens Peder Dahl Publisher: Springer Science & Business Media ISBN: 1489921427 Category : Science Languages : en Pages : 848
Book Description
The· simplest picture of an atom, a molecule or a solid is the picture of its distribution of charge. It is obtained by specifying the positions of the atomic nuclei and by showing how the density, p(E), of the electronic charge-cloud varies from place to place. A much more detailed picture is provided by the many-electron wavefunction. This quantity shows not only the arrangement of the electrons with respect to the nuclei, but also the arrangement of the electrons with respect to each other, and it allows the evaluation of the total energy and other properties. The many-electron wavefunction is in principle obtained by solving the many-electron Schrodinger equation for the motion of the interacting electrons under the influ ence of the nuclei, but in practice the equation is unsolvable, and it is necessary to proceed by methods of approximation. Needless to say, .such methods will as a rule depend on the complexity of the system considered.
Author: D.E. Ellis Publisher: Springer Science & Business Media ISBN: 9401104875 Category : Science Languages : en Pages : 321
Book Description
Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.
Author: Peter Fulde Publisher: Springer Science & Business Media ISBN: 3642578098 Category : Science Languages : en Pages : 492
Book Description
Dieser Titel verbindet die Festkörpertheorie mit der Quantenchemie. Neue Konzepte der Vielteilchen-Verarbeitung und Korrelations-Effekte, normale quantenchemische Verfahren mit Projektionstechniken, Greensche Funktionen und Monte-Carlo-Methoden werden erarbeitet. Anwendungsbereiche der Molekültheorie, von Halbleitern, supraleitender high-Tc-Materialien, etc., werden vorgestellt.
Author: Jorge Jose ́ Kohanoff Publisher: ISBN: 9780511648311 Category : Science Languages : en Pages : 372
Book Description
This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of electrons. The first part covers the theoretical methods, including both density-functional theory and Hartree-Fock theory and the latter part discusses the different computational methods.
Author: John Clarke Slater
Author: John Clarke Slater![SELF CONSISTENT FIELD FOR MOLECULES AND SOLIDS [Vol 4]. PDF](https://books.google.com/books/content/images/frontcover/YWg9tAEACAAJ?fife=w80-h100)
Author: JC. SLATER
Author: John Clarke Slater
Author: John Clarke Slater
Author: John Clarke Slater
Author: Jorge Kohanoff
Author: Jens Peder Dahl
Author: D.E. Ellis
Author: Peter Fulde
Author: Jorge Jose ́ Kohanoff